[4-(3-methylanilino)-1-propylazepan-4-yl]methanol

C17H28N2O — CID 65076521

IUPAC[4-(3-methylanilino)-1-propylazepan-4-yl]methanol
SMILESCCCN1CCCC(CO)(Nc2cccc(C)c2)CC1
InChIInChI=1S/C17H28N2O/c1-3-10-19-11-5-8-17(14-20,9-12-19)18-16-7-4-6-15(2)13-16/h4,6-7,13,18,20H,3,5,8-12,14H2,1-2H3
InChIKeyBCGWYGQAJQWMDH-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.03
Rot. Bonds5

About [4-(3-methylanilino)-1-propylazepan-4-yl]methanol

[4-(3-methylanilino)-1-propylazepan-4-yl]methanol (PubChem CID 65076521) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [4-(3-methylanilino)-1-propylazepan-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-methylanilino)-1-propylazepan-4-yl]methanol
PubChem CID65076521
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[4-(3-methylanilino)-1-propylazepan-4-yl]methanol
SMILESCCCN1CCCC(CO)(Nc2cccc(C)c2)CC1
InChIInChI=1S/C17H28N2O/c1-3-10-19-11-5-8-17(14-20,9-12-19)18-16-7-4-6-15(2)13-16/h4,6-7,13,18,20H,3,5,8-12,14H2,1-2H3
InChIKeyBCGWYGQAJQWMDH-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
CID 61049744
4-(3-methylanilino)-1-propylazepane-4-carboxylic acid
CID 65075650
[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol
CID 79049543
[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
CID 21193427
4-(hydroxymethyl)-N,N-dimethyl-4-(3-methylanilino)piperidine-1-carboxamide
CID 83269410
[1-ethyl-4-(3-methoxyanilino)piperidin-4-yl]methanol
CID 61048674
4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid
CID 60992852
4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine
CID 65377742
4-(3-bromoanilino)-1-propylazepane-4-carbonitrile
CID 65075835
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline
CID 63503965
[4-(propan-2-ylamino)-1-propylpiperidin-4-yl]methanol
CID 61049791
4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine
CID 65384423

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylanilino)-1-propylazepan-4-yl]methanol?
The IUPAC name of [4-(3-methylanilino)-1-propylazepan-4-yl]methanol (CID 65076521) is [4-(3-methylanilino)-1-propylazepan-4-yl]methanol.
What is the SMILES notation for [4-(3-methylanilino)-1-propylazepan-4-yl]methanol?
The canonical SMILES for [4-(3-methylanilino)-1-propylazepan-4-yl]methanol is CCCN1CCCC(CO)(Nc2cccc(C)c2)CC1.
What is the InChIKey of [4-(3-methylanilino)-1-propylazepan-4-yl]methanol?
The InChIKey is BCGWYGQAJQWMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-19-11-5-8-17(14-20,9-12-19)18-16-7-4-6-15(2)13-16/h4,6-7,13,18,20H,3,5,8-12,14H2,1-2H3.
What are the key properties of [4-(3-methylanilino)-1-propylazepan-4-yl]methanol?
[4-(3-methylanilino)-1-propylazepan-4-yl]methanol has a molecular weight of 276.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylanilino)-1-propylazepan-4-yl]methanol is sourced from PubChem (CID 65076521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).