4-(5-chloro-2-ethoxyphenyl)hexan-1-amine

C14H22ClNO — CID 83933222

IUPAC4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
SMILESCCOc1ccc(Cl)cc1C(CC)CCCN
InChIInChI=1S/C14H22ClNO/c1-3-11(6-5-9-16)13-10-12(15)7-8-14(13)17-4-2/h7-8,10-11H,3-6,9,16H2,1-2H3
InChIKeyFTQHYOKCJABFQT-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.97
Rot. Bonds7

About 4-(5-chloro-2-ethoxyphenyl)hexan-1-amine

4-(5-chloro-2-ethoxyphenyl)hexan-1-amine (PubChem CID 83933222) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(5-chloro-2-ethoxyphenyl)hexan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
PubChem CID83933222
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
SMILESCCOc1ccc(Cl)cc1C(CC)CCCN
InChIInChI=1S/C14H22ClNO/c1-3-11(6-5-9-16)13-10-12(15)7-8-14(13)17-4-2/h7-8,10-11H,3-6,9,16H2,1-2H3
InChIKeyFTQHYOKCJABFQT-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dichlorophenyl)hexan-1-amine
CID 83931331
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
CID 83921157
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
CID 83939793
4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine
CID 83923062
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
2-[2-(5-chloro-2-ethoxyphenyl)butyl]-3-ethyloxirane
CID 83933316
2-(4-bromobutan-2-yl)-4-chloro-1-ethoxybenzene
CID 83933223
4-(2,5-diethoxyphenyl)pentan-1-amine
CID 83942835
5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
CID 83944051
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-ethoxyphenyl)hexan-1-amine?
The IUPAC name of 4-(5-chloro-2-ethoxyphenyl)hexan-1-amine (CID 83933222) is 4-(5-chloro-2-ethoxyphenyl)hexan-1-amine.
What is the SMILES notation for 4-(5-chloro-2-ethoxyphenyl)hexan-1-amine?
The canonical SMILES for 4-(5-chloro-2-ethoxyphenyl)hexan-1-amine is CCOc1ccc(Cl)cc1C(CC)CCCN.
What is the InChIKey of 4-(5-chloro-2-ethoxyphenyl)hexan-1-amine?
The InChIKey is FTQHYOKCJABFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-11(6-5-9-16)13-10-12(15)7-8-14(13)17-4-2/h7-8,10-11H,3-6,9,16H2,1-2H3.
What are the key properties of 4-(5-chloro-2-ethoxyphenyl)hexan-1-amine?
4-(5-chloro-2-ethoxyphenyl)hexan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-ethoxyphenyl)hexan-1-amine is sourced from PubChem (CID 83933222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).