[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine

C16H26N2O — CID 63623878

IUPAC[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
SMILESCC1CCCN(CCOc2cccc(CN)c2)CC1
InChIInChI=1S/C16H26N2O/c1-14-4-3-8-18(9-7-14)10-11-19-16-6-2-5-15(12-16)13-17/h2,5-6,12,14H,3-4,7-11,13,17H2,1H3
InChIKeyRBAPZYRQWYJZHJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.65
Rot. Bonds5

About [3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine

[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine (PubChem CID 63623878) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
PubChem CID63623878
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
SMILESCC1CCCN(CCOc2cccc(CN)c2)CC1
InChIInChI=1S/C16H26N2O/c1-14-4-3-8-18(9-7-14)10-11-19-16-6-2-5-15(12-16)13-17/h2,5-6,12,14H,3-4,7-11,13,17H2,1H3
InChIKeyRBAPZYRQWYJZHJ-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
3-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63624650
[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 62331368
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
CID 143132043
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
3-[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 63623569
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
[3-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl]methanamine
CID 43253676
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
CID 14026189

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine (CID 63623878) is [3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine is CC1CCCN(CCOc2cccc(CN)c2)CC1.
What is the InChIKey of [3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is RBAPZYRQWYJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-4-3-8-18(9-7-14)10-11-19-16-6-2-5-15(12-16)13-17/h2,5-6,12,14H,3-4,7-11,13,17H2,1H3.
What are the key properties of [3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine?
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 63623878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).