N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine

C16H25ClN2O — CID 65072787

IUPACN-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H25ClN2O/c1-3-9-19-10-4-5-14(8-11-19)18-15-12-13(17)6-7-16(15)20-2/h6-7,12,14,18H,3-5,8-11H2,1-2H3
InChIKeyQRTUIKHTDGKVDP-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.03
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine

N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine (PubChem CID 65072787) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
PubChem CID65072787
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H25ClN2O/c1-3-9-19-10-4-5-14(8-11-19)18-15-12-13(17)6-7-16(15)20-2/h6-7,12,14,18H,3-5,8-11H2,1-2H3
InChIKeyQRTUIKHTDGKVDP-UHFFFAOYSA-N
XLogP4.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine
CID 2847340
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
CID 65073536
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
5-chloro-2-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 62493841
5-chloro-N-cyclohexyl-2-propoxyaniline
CID 63453197
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine
CID 103411071
2-methoxy-5-[(1-propylpiperidin-4-yl)amino]phenol
CID 43743683
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine (CID 65072787) is N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine?
The InChIKey is QRTUIKHTDGKVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-9-19-10-4-5-14(8-11-19)18-15-12-13(17)6-7-16(15)20-2/h6-7,12,14,18H,3-5,8-11H2,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine?
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine has a molecular weight of 296.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65072787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).