(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine

C16H18ClNO — CID 62920659

IUPAC(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-11(2)19-15-5-3-4-13(10-15)16(18)12-6-8-14(17)9-7-12/h3-11,16H,18H2,1-2H3
InChIKeyRXNCMKRCTSJNHH-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.18
Rot. Bonds4

About (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine

(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine (PubChem CID 62920659) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
PubChem CID62920659
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1cccc(C(N)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-11(2)19-15-5-3-4-13(10-15)16(18)12-6-8-14(17)9-7-12/h3-11,16H,18H2,1-2H3
InChIKeyRXNCMKRCTSJNHH-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79747415
1-[bromo-(4-chlorophenyl)methyl]-3-propan-2-yloxybenzene
CID 63436948
(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine
CID 138032113
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
furan-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 62919979
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(2,3-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 115850319
(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79737100
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine (CID 62920659) is (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine is CC(C)Oc1cccc(C(N)c2ccc(Cl)cc2)c1.
What is the InChIKey of (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
The InChIKey is RXNCMKRCTSJNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11(2)19-15-5-3-4-13(10-15)16(18)12-6-8-14(17)9-7-12/h3-11,16H,18H2,1-2H3.
What are the key properties of (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine?
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine has a molecular weight of 275.78 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 62920659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).