3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine

C16H26N2O — CID 117095267

IUPAC3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine
SMILESCN1CCCC(Oc2ccc(CCCN)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-18-12-3-5-15(10-13-18)19-16-8-6-14(7-9-16)4-2-11-17/h6-9,15H,2-5,10-13,17H2,1H3
InChIKeyCFMHZUFZMQRZQY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds5

About 3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine

3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine (PubChem CID 117095267) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine
PubChem CID117095267
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine
SMILESCN1CCCC(Oc2ccc(CCCN)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-18-12-3-5-15(10-13-18)19-16-8-6-14(7-9-16)4-2-11-17/h6-9,15H,2-5,10-13,17H2,1H3
InChIKeyCFMHZUFZMQRZQY-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117444593
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
4-[2-[3-(4-aminophenoxy)piperidin-1-yl]ethyl]aniline
CID 22363113
1-cyclobutyloxy-4-propylbenzene
CID 178141621
3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine
CID 95449970
N-methoxy-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]methanamine
CID 115005034
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870
3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 84786356
1-[[4-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117408226
4-[4-(thietan-3-yloxy)phenyl]butan-1-amine
CID 117347849

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine?
The IUPAC name of 3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine (CID 117095267) is 3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine?
The canonical SMILES for 3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine is CN1CCCC(Oc2ccc(CCCN)cc2)CC1.
What is the InChIKey of 3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine?
The InChIKey is CFMHZUFZMQRZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18-12-3-5-15(10-13-18)19-16-8-6-14(7-9-16)4-2-11-17/h6-9,15H,2-5,10-13,17H2,1H3.
What are the key properties of 3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine?
3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine is sourced from PubChem (CID 117095267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).