2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine

C19H29NO — CID 104771127

IUPAC2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CC1CCOc2ccccc21
InChIInChI=1S/C19H29NO/c1-2-12-20-18-9-5-3-7-16(18)14-15-11-13-21-19-10-6-4-8-17(15)19/h4,6,8,10,15-16,18,20H,2-3,5,7,9,11-14H2,1H3
InChIKeyPLBDZSTVGOSOJA-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.50
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine

2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine (PubChem CID 104771127) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine
PubChem CID104771127
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CC1CCOc2ccccc21
InChIInChI=1S/C19H29NO/c1-2-12-20-18-9-5-3-7-16(18)14-15-11-13-21-19-10-6-4-8-17(15)19/h4,6,8,10,15-16,18,20H,2-3,5,7,9,11-14H2,1H3
InChIKeyPLBDZSTVGOSOJA-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63771818
2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine
CID 106365134
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propylcyclohexan-1-ol
CID 104770871
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
4-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-N-propylbutan-1-amine
CID 104771888
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 63193083
3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylcyclopentan-1-one
CID 104771813
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 104768239
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine (CID 104771127) is 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine?
The InChIKey is PLBDZSTVGOSOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-12-20-18-9-5-3-7-16(18)14-15-11-13-21-19-10-6-4-8-17(15)19/h4,6,8,10,15-16,18,20H,2-3,5,7,9,11-14H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine?
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 104771127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).