N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine

C15H22ClNO — CID 116722802

IUPACN-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C(OC)C1CC1
InChIInChI=1S/C15H22ClNO/c1-3-10-17-14(15(18-2)12-4-5-12)11-6-8-13(16)9-7-11/h6-9,12,14-15,17H,3-5,10H2,1-2H3
InChIKeyVBECPWHAPRZORN-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.81
Rot. Bonds7

About N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine

N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine (PubChem CID 116722802) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine
PubChem CID116722802
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C(OC)C1CC1
InChIInChI=1S/C15H22ClNO/c1-3-10-17-14(15(18-2)12-4-5-12)11-6-8-13(16)9-7-11/h6-9,12,14-15,17H,3-5,10H2,1-2H3
InChIKeyVBECPWHAPRZORN-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 116722720
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine
CID 116722688
N-[2-cyclohexyl-1-(furan-3-yl)-2-methoxyethyl]propan-1-amine
CID 116771848
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-(2-cyclopropyl-2-methoxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 116722797
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine
CID 116722846
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 116722711
[2-cyclopropyl-2-methoxy-1-(4-propylphenyl)ethyl]hydrazine
CID 105272652
[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105272935

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine (CID 116722802) is N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1)C(OC)C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine?
The InChIKey is VBECPWHAPRZORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-10-17-14(15(18-2)12-4-5-12)11-6-8-13(16)9-7-11/h6-9,12,14-15,17H,3-5,10H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine?
N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine is sourced from PubChem (CID 116722802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).