1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol

C16H22ClNO — CID 64520874

IUPAC1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol
SMILESOC(CCN(CC1CC1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C16H22ClNO/c17-15-4-2-1-3-14(15)16(19)9-10-18(13-7-8-13)11-12-5-6-12/h1-4,12-13,16,19H,5-11H2
InChIKeyMHOUNJAIFKCTSS-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.64
Rot. Bonds7

About 1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol

1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol (PubChem CID 64520874) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol
PubChem CID64520874
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol
SMILESOC(CCN(CC1CC1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C16H22ClNO/c17-15-4-2-1-3-14(15)16(19)9-10-18(13-7-8-13)11-12-5-6-12/h1-4,12-13,16,19H,5-11H2
InChIKeyMHOUNJAIFKCTSS-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol (CID 64520874) is 1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol is OC(CCN(CC1CC1)C1CC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol?
The InChIKey is MHOUNJAIFKCTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-15-4-2-1-3-14(15)16(19)9-10-18(13-7-8-13)11-12-5-6-12/h1-4,12-13,16,19H,5-11H2.
What are the key properties of 1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol?
1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol has a molecular weight of 279.81 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol is sourced from PubChem (CID 64520874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).