1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol

C14H20ClNO — CID 62628773

IUPAC1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C14H20ClNO/c1-16(10-11-2-3-11)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,2-3,8-10H2,1H3
InChIKeyQQQKANIMMSVNNB-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.11
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol

1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol (PubChem CID 62628773) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
PubChem CID62628773
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C14H20ClNO/c1-16(10-11-2-3-11)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,2-3,8-10H2,1H3
InChIKeyQQQKANIMMSVNNB-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol
CID 112754618
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
1-(4-chlorophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62629823
1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82753878
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630833
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
1-(4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 55099454

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol (CID 62628773) is 1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol is CN(CCC(O)c1ccc(Cl)cc1)CC1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol?
The InChIKey is QQQKANIMMSVNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16(10-11-2-3-11)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol?
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 62628773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).