(1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine

C21H25NO — CID 58035585

IUPAC(1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1
InChIInChI=1S/C21H25NO/c1-21(2)11-10-17-12-15(8-9-20(17)23-21)14-22-19-13-18(19)16-6-4-3-5-7-16/h3-9,12,18-19,22H,10-11,13-14H2,1-2H3/t18?,19-/m0/s1
InChIKeyBWFVRZZEYZEBLZ-GGYWPGCISA-N
MW307.44 g/mol
LogP4.44
Rot. Bonds4

About (1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 58035585) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID58035585
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1
InChIInChI=1S/C21H25NO/c1-21(2)11-10-17-12-15(8-9-20(17)23-21)14-22-19-13-18(19)16-6-4-3-5-7-16/h3-9,12,18-19,22H,10-11,13-14H2,1-2H3/t18?,19-/m0/s1
InChIKeyBWFVRZZEYZEBLZ-GGYWPGCISA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine (CID 58035585) is (1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine is CC1(C)CCc2cc(CN[C@H]3CC3c3ccccc3)ccc2O1.
What is the InChIKey of (1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is BWFVRZZEYZEBLZ-GGYWPGCISA-N. The full InChI is InChI=1S/C21H25NO/c1-21(2)11-10-17-12-15(8-9-20(17)23-21)14-22-19-13-18(19)16-6-4-3-5-7-16/h3-9,12,18-19,22H,10-11,13-14H2,1-2H3/t18?,19-/m0/s1.
What are the key properties of (1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 58035585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).