N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine

C16H26N2 — CID 43280522

IUPACN-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1N1CCCCCC1
InChIInChI=1S/C16H26N2/c1-14(2)17-13-15-9-5-6-10-16(15)18-11-7-3-4-8-12-18/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3
InChIKeyAPIVAIPLOFHFLQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds4

About N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine

N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 43280522) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
PubChem CID43280522
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1N1CCCCCC1
InChIInChI=1S/C16H26N2/c1-14(2)17-13-15-9-5-6-10-16(15)18-11-7-3-4-8-12-18/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3
InChIKeyAPIVAIPLOFHFLQ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
CID 62205562
N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43373123
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
CID 43220661
(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78978897
N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine
CID 62117804
(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78979013
3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 115676792
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574
N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 123727304

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine (CID 43280522) is N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1N1CCCCCC1.
What is the InChIKey of N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is APIVAIPLOFHFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)17-13-15-9-5-6-10-16(15)18-11-7-3-4-8-12-18/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine?
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43280522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).