1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

C19H29NO — CID 104769683

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(CC2CCOc3ccccc32)CC1
InChIInChI=1S/C19H29NO/c1-14(2)15-7-10-19(20,11-8-15)13-16-9-12-21-18-6-4-3-5-17(16)18/h3-6,14-16H,7-13,20H2,1-2H3
InChIKeyOLPHOWDQFZNUEK-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.49
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 104769683) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID104769683
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(CC2CCOc3ccccc32)CC1
InChIInChI=1S/C19H29NO/c1-14(2)15-7-10-19(20,11-8-15)13-16-9-12-21-18-6-4-3-5-17(16)18/h3-6,14-16H,7-13,20H2,1-2H3
InChIKeyOLPHOWDQFZNUEK-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]cyclopropan-1-amine
CID 83910100
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
CID 79220094
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-[(7-methyl-3,4-dihydro-2H-chromen-4-yl)methyl]cyclopropan-1-amine
CID 83910098
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine
CID 79219418
1-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopentan-1-ol
CID 104769122
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
CID 80604001
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (CID 104769683) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)(CC2CCOc3ccccc32)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is OLPHOWDQFZNUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)15-7-10-19(20,11-8-15)13-16-9-12-21-18-6-4-3-5-17(16)18/h3-6,14-16H,7-13,20H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 104769683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).