1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine

C20H26N2O — CID 88677930

IUPAC1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine
SMILESCC(NC[C@@H]1CC(C)(C)Oc2ccccc21)Nc1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(22-17-9-5-4-6-10-17)21-14-16-13-20(2,3)23-19-12-8-7-11-18(16)19/h4-12,15-16,21-22H,13-14H2,1-3H3/t15?,16-/m0/s1
InChIKeyFVKUCTHRXZOQFR-LYKKTTPLSA-N
MW310.44 g/mol
LogP4.38
Rot. Bonds5

About 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine

1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine (PubChem CID 88677930) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine.

Molecular Properties

Compound Name1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine
PubChem CID88677930
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine
SMILESCC(NC[C@@H]1CC(C)(C)Oc2ccccc21)Nc1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(22-17-9-5-4-6-10-17)21-14-16-13-20(2,3)23-19-12-8-7-11-18(16)19/h4-12,15-16,21-22H,13-14H2,1-3H3/t15?,16-/m0/s1
InChIKeyFVKUCTHRXZOQFR-LYKKTTPLSA-N
XLogP4.38
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine with MolForge

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Related Compounds

(2,2-dimethyl-3,4-dihydrochromen-4-yl)methanethiol
CID 166881914
(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene
CID 163222504
N-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-phenylethanamine
CID 70456029
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488
2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81140827
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776946
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
CID 81338296
(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol
CID 81142918
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)-(2-methylpropyl)amino]acetic acid
CID 81131566

Frequently Asked Questions

What is the IUPAC name of 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine?
The IUPAC name of 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine (CID 88677930) is 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine.
What is the SMILES notation for 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine?
The canonical SMILES for 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine is CC(NC[C@@H]1CC(C)(C)Oc2ccccc21)Nc1ccccc1.
What is the InChIKey of 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine?
The InChIKey is FVKUCTHRXZOQFR-LYKKTTPLSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(22-17-9-5-4-6-10-17)21-14-16-13-20(2,3)23-19-12-8-7-11-18(16)19/h4-12,15-16,21-22H,13-14H2,1-3H3/t15?,16-/m0/s1.
What are the key properties of 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine?
1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine has a molecular weight of 310.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]methyl]-1-N'-phenylethane-1,1-diamine is sourced from PubChem (CID 88677930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).