N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine

C14H21NO — CID 45221354

IUPACN-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCC(C)(C)CNC1COc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-14(2,3)10-15-12-8-11-6-4-5-7-13(11)16-9-12/h4-7,12,15H,8-10H2,1-3H3
InChIKeyUKZRFMWGJCECIK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.63
Rot. Bonds2

About N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine

N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 45221354) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID45221354
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCC(C)(C)CNC1COc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-14(2,3)10-15-12-8-11-6-4-5-7-13(11)16-9-12/h4-7,12,15H,8-10H2,1-3H3
InChIKeyUKZRFMWGJCECIK-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
CID 115887352
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
N-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 126985805
N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 74567618
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45244633
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 94064806
(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29257290
N-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dihydro-2H-chromen-3-amine
CID 45239496

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine (CID 45221354) is N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine is CC(C)(C)CNC1COc2ccccc2C1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is UKZRFMWGJCECIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)10-15-12-8-11-6-4-5-7-13(11)16-9-12/h4-7,12,15H,8-10H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine?
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 45221354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).