3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine

C14H20ClNO — CID 117387789

IUPAC3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
SMILESCc1cc(Cl)c(OC2CC2)c(C(C)CCN)c1
InChIInChI=1S/C14H20ClNO/c1-9-7-12(10(2)5-6-16)14(13(15)8-9)17-11-3-4-11/h7-8,10-11H,3-6,16H2,1-2H3
InChIKeyPGRYRHVULHMMGZ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.64
Rot. Bonds5

About 3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine

3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine (PubChem CID 117387789) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
PubChem CID117387789
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
SMILESCc1cc(Cl)c(OC2CC2)c(C(C)CCN)c1
InChIInChI=1S/C14H20ClNO/c1-9-7-12(10(2)5-6-16)14(13(15)8-9)17-11-3-4-11/h7-8,10-11H,3-6,16H2,1-2H3
InChIKeyPGRYRHVULHMMGZ-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480358
3-(3-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782147
2-(3-chloro-2-cyclopropyloxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117394961
3-(5-chloro-2,4-dimethoxy-3-methylphenyl)butan-1-amine
CID 117398173
1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
2-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-ol
CID 117459038
3-(4,5-dichloro-2-methylphenyl)butan-1-amine
CID 84795234
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butanal
CID 117478598
3-(4-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782148
4-(4-aminobutan-2-yl)-6-chloro-2,3-dimethoxybenzaldehyde
CID 117432338
3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
CID 117432464
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
CID 83893998

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine?
The IUPAC name of 3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine (CID 117387789) is 3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine.
What is the SMILES notation for 3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine?
The canonical SMILES for 3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine is Cc1cc(Cl)c(OC2CC2)c(C(C)CCN)c1.
What is the InChIKey of 3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine?
The InChIKey is PGRYRHVULHMMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-7-12(10(2)5-6-16)14(13(15)8-9)17-11-3-4-11/h7-8,10-11H,3-6,16H2,1-2H3.
What are the key properties of 3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine?
3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-cyclopropyloxy-5-methylphenyl)butan-1-amine is sourced from PubChem (CID 117387789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).