1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine

C16H24ClNO — CID 125447331

IUPAC1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine
SMILESCOC(C)(C)C[C@@H](C)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClNO/c1-12(11-15(2,3)19-4)18-16(9-10-16)13-5-7-14(17)8-6-13/h5-8,12,18H,9-11H2,1-4H3/t12-/m1/s1
InChIKeyKITZQDXTNRVABH-GFCCVEGCSA-N
MW281.83 g/mol
LogP4.12
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine

1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine (PubChem CID 125447331) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine
PubChem CID125447331
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine
SMILESCOC(C)(C)C[C@@H](C)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClNO/c1-12(11-15(2,3)19-4)18-16(9-10-16)13-5-7-14(17)8-6-13/h5-8,12,18H,9-11H2,1-4H3/t12-/m1/s1
InChIKeyKITZQDXTNRVABH-GFCCVEGCSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-4-methoxy-4-methylpentan-2-yl]-1-(4-methylphenyl)cyclopropan-1-amine
CID 125437104
1-(4-chlorophenyl)-N-[1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
CID 122568487
1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
CID 125445145
N-(1-methoxypropan-2-yl)-1-phenylcyclopropan-1-amine
CID 115920179
1-(4-chlorophenyl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
CID 16672085
1-(4-chlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027660
1-(4-fluorophenyl)-N-pentan-2-ylcyclopropan-1-amine
CID 115920209
[(2R)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 29014952
4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
CID 43712720
5-amino-5-[1-(4-chlorophenyl)cyclobutyl]-3-methoxyhexan-3-ol
CID 70468090
N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 60749843
1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea
CID 113215454

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine (CID 125447331) is 1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine is COC(C)(C)C[C@@H](C)NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine?
The InChIKey is KITZQDXTNRVABH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(11-15(2,3)19-4)18-16(9-10-16)13-5-7-14(17)8-6-13/h5-8,12,18H,9-11H2,1-4H3/t12-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine?
1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 125447331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).