1-(3-chloro-5-ethoxyphenyl)propan-1-amine

C11H16ClNO — CID 155798164

IUPAC1-(3-chloro-5-ethoxyphenyl)propan-1-amine
SMILESCCOc1cc(Cl)cc(C(N)CC)c1
InChIInChI=1S/C11H16ClNO/c1-3-11(13)8-5-9(12)7-10(6-8)14-4-2/h5-7,11H,3-4,13H2,1-2H3
InChIKeyJSNFUQSPERPNLZ-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.15
Rot. Bonds4

About 1-(3-chloro-5-ethoxyphenyl)propan-1-amine

1-(3-chloro-5-ethoxyphenyl)propan-1-amine (PubChem CID 155798164) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(3-chloro-5-ethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-ethoxyphenyl)propan-1-amine
PubChem CID155798164
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(3-chloro-5-ethoxyphenyl)propan-1-amine
SMILESCCOc1cc(Cl)cc(C(N)CC)c1
InChIInChI=1S/C11H16ClNO/c1-3-11(13)8-5-9(12)7-10(6-8)14-4-2/h5-7,11H,3-4,13H2,1-2H3
InChIKeyJSNFUQSPERPNLZ-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichloro-5-(ethoxymethoxy)benzene
CID 175806950
(3-chloro-5-ethoxyphenyl)hydrazine
CID 130779146
2-[3-(1-aminopropyl)-5-chlorophenyl]propan-2-ol;fluoro formate
CID 144557116
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325
1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene
CID 55199898
[(3,5-dichlorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329954
3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride
CID 122714136
CID 90889125
CID 90889125
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870
ethyl (3S)-3-amino-3-(3-chloro-5-methylphenyl)propanoate
CID 140851212
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethoxyphenyl)propan-1-amine?
The IUPAC name of 1-(3-chloro-5-ethoxyphenyl)propan-1-amine (CID 155798164) is 1-(3-chloro-5-ethoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-ethoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(3-chloro-5-ethoxyphenyl)propan-1-amine is CCOc1cc(Cl)cc(C(N)CC)c1.
What is the InChIKey of 1-(3-chloro-5-ethoxyphenyl)propan-1-amine?
The InChIKey is JSNFUQSPERPNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-11(13)8-5-9(12)7-10(6-8)14-4-2/h5-7,11H,3-4,13H2,1-2H3.
What are the key properties of 1-(3-chloro-5-ethoxyphenyl)propan-1-amine?
1-(3-chloro-5-ethoxyphenyl)propan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethoxyphenyl)propan-1-amine is sourced from PubChem (CID 155798164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).