4-(5-chloro-2-methoxyphenyl)heptan-4-amine

C14H22ClNO — CID 54886842

IUPAC4-(5-chloro-2-methoxyphenyl)heptan-4-amine
SMILESCCCC(N)(CCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO/c1-4-8-14(16,9-5-2)12-10-11(15)6-7-13(12)17-3/h6-7,10H,4-5,8-9,16H2,1-3H3
InChIKeyQVSGFZZOFQSGDW-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.10
Rot. Bonds6

About 4-(5-chloro-2-methoxyphenyl)heptan-4-amine

4-(5-chloro-2-methoxyphenyl)heptan-4-amine (PubChem CID 54886842) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)heptan-4-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)heptan-4-amine
PubChem CID54886842
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(5-chloro-2-methoxyphenyl)heptan-4-amine
SMILESCCCC(N)(CCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO/c1-4-8-14(16,9-5-2)12-10-11(15)6-7-13(12)17-3/h6-7,10H,4-5,8-9,16H2,1-3H3
InChIKeyQVSGFZZOFQSGDW-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-phenylpropan-1-amine
CID 62791102
(2R)-2-(5-chloro-2-methoxyphenyl)but-3-en-2-amine
CID 130684058
2-(5-chloro-2-methoxyphenyl)propane-2-thiol
CID 116866548
1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 62790432
2-(5-chloro-2-methoxyphenyl)-2-methylbutanoic acid
CID 83843382
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol
CID 105426373
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129
2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide
CID 116845891
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81022246
4-chloro-2-(2-isocyanatopropan-2-yl)-1-methoxybenzene
CID 82080893
1-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenyl)propan-2-amine
CID 62620710

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)heptan-4-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)heptan-4-amine (CID 54886842) is 4-(5-chloro-2-methoxyphenyl)heptan-4-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)heptan-4-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)heptan-4-amine is CCCC(N)(CCC)c1cc(Cl)ccc1OC.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)heptan-4-amine?
The InChIKey is QVSGFZZOFQSGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-8-14(16,9-5-2)12-10-11(15)6-7-13(12)17-3/h6-7,10H,4-5,8-9,16H2,1-3H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)heptan-4-amine?
4-(5-chloro-2-methoxyphenyl)heptan-4-amine has a molecular weight of 255.79 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)heptan-4-amine is sourced from PubChem (CID 54886842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).