[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine

C18H30N2O — CID 65338957

IUPAC[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
SMILESCCCC1CCCN(Cc2ccc(OC)c(CN)c2)CC1
InChIInChI=1S/C18H30N2O/c1-3-5-15-6-4-10-20(11-9-15)14-16-7-8-18(21-2)17(12-16)13-19/h7-8,12,15H,3-6,9-11,13-14,19H2,1-2H3
InChIKeySHFUCJVPTWIEMX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.56
Rot. Bonds6

About [2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine

[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine (PubChem CID 65338957) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
PubChem CID65338957
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
SMILESCCCC1CCCN(Cc2ccc(OC)c(CN)c2)CC1
InChIInChI=1S/C18H30N2O/c1-3-5-15-6-4-10-20(11-9-15)14-16-7-8-18(21-2)17(12-16)13-19/h7-8,12,15H,3-6,9-11,13-14,19H2,1-2H3
InChIKeySHFUCJVPTWIEMX-UHFFFAOYSA-N
XLogP3.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol
CID 82980525
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanol
CID 114797239
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758
2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
CID 65343978
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpyrrolidine
CID 112695958
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
1-[4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 65340739

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine (CID 65338957) is [2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine is CCCC1CCCN(Cc2ccc(OC)c(CN)c2)CC1.
What is the InChIKey of [2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine?
The InChIKey is SHFUCJVPTWIEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-5-15-6-4-10-20(11-9-15)14-16-7-8-18(21-2)17(12-16)13-19/h7-8,12,15H,3-6,9-11,13-14,19H2,1-2H3.
What are the key properties of [2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine?
[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine has a molecular weight of 290.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 65338957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).