N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine

C19H32N2 — CID 105347840

IUPACN-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(CN2CCCCCC2C)cc1
InChIInChI=1S/C19H32N2/c1-4-20-14-16(2)19-11-9-18(10-12-19)15-21-13-7-5-6-8-17(21)3/h9-12,16-17,20H,4-8,13-15H2,1-3H3
InChIKeyWTHPBMRTDRXGGR-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.16
Rot. Bonds6

About N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine

N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine (PubChem CID 105347840) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine
PubChem CID105347840
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(CN2CCCCCC2C)cc1
InChIInChI=1S/C19H32N2/c1-4-20-14-16(2)19-11-9-18(10-12-19)15-21-13-7-5-6-8-17(21)3/h9-12,16-17,20H,4-8,13-15H2,1-3H3
InChIKeyWTHPBMRTDRXGGR-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347715
N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 105346402
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]-N-ethylpropan-1-amine
CID 105348050
N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346333
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine
CID 105351097
2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135679
3-amino-2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119844935

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine (CID 105347840) is N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine is CCNCC(C)c1ccc(CN2CCCCCC2C)cc1.
What is the InChIKey of N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine?
The InChIKey is WTHPBMRTDRXGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-20-14-16(2)19-11-9-18(10-12-19)15-21-13-7-5-6-8-17(21)3/h9-12,16-17,20H,4-8,13-15H2,1-3H3.
What are the key properties of N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine?
N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105347840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).