N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine

C16H26ClNO — CID 106023567

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-4-6-8-14(7-5-2)18-12-13-9-10-16(19-3)15(17)11-13/h9-11,14,18H,4-8,12H2,1-3H3
InChIKeyITPIEHNMCJISAP-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.80
Rot. Bonds9

About N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine

N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine (PubChem CID 106023567) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine
PubChem CID106023567
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-4-6-8-14(7-5-2)18-12-13-9-10-16(19-3)15(17)11-13/h9-11,14,18H,4-8,12H2,1-3H3
InChIKeyITPIEHNMCJISAP-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethoxy-4-[(octan-4-ylamino)methyl]phenol
CID 103780342
N-(naphthalen-2-ylmethyl)octan-4-amine
CID 106023636
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65022730
2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254471
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
(2S,3S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylpentanoic acid
CID 120510449
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 65022718
1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
CID 43488519
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
CID 63498871
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine
CID 62118157
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine (CID 106023567) is N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine is CCCCC(CCC)NCc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine?
The InChIKey is ITPIEHNMCJISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-6-8-14(7-5-2)18-12-13-9-10-16(19-3)15(17)11-13/h9-11,14,18H,4-8,12H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine?
N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine has a molecular weight of 283.84 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine is sourced from PubChem (CID 106023567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).