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

C19H32N2 — CID 105347715

IUPACN-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(CN2CCCC(C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-20-14-17(3)19-9-7-18(8-10-19)15-21-12-5-6-16(2)11-13-21/h7-10,16-17,20H,4-6,11-15H2,1-3H3
InChIKeySAVMIYMMHRVZMC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds6

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

N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine (PubChem CID 105347715) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
PubChem CID105347715
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(CN2CCCC(C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-20-14-17(3)19-9-7-18(8-10-19)15-21-12-5-6-16(2)11-13-21/h7-10,16-17,20H,4-6,11-15H2,1-3H3
InChIKeySAVMIYMMHRVZMC-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346333
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]-N-ethylpropan-1-amine
CID 105348050
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105346519
N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347840
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 105346444
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
3-[4-(pyrrolidin-1-ylmethyl)phenyl]butanal
CID 117334946
2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345602
N-methyl-2-(4-methylazepan-1-yl)-1-(4-propylphenyl)ethanamine
CID 63623524
1-ethyl-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125333
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine (CID 105347715) is N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine is CCNCC(C)c1ccc(CN2CCCC(C)CC2)cc1.
What is the InChIKey of N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine?
The InChIKey is SAVMIYMMHRVZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-20-14-17(3)19-9-7-18(8-10-19)15-21-12-5-6-16(2)11-13-21/h7-10,16-17,20H,4-6,11-15H2,1-3H3.
What are the key properties of N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine?
N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 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-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105347715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).