N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine

C14H20ClNO — CID 62594787

IUPACN-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCOc1ccc(Cl)cc1C1(CNC(C)C)CC1
InChIInChI=1S/C14H20ClNO/c1-10(2)16-9-14(6-7-14)12-8-11(15)4-5-13(12)17-3/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeySZQDXNKFLJSNOF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.38
Rot. Bonds5

About N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine

N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 62594787) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
PubChem CID62594787
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCOc1ccc(Cl)cc1C1(CNC(C)C)CC1
InChIInChI=1S/C14H20ClNO/c1-10(2)16-9-14(6-7-14)12-8-11(15)4-5-13(12)17-3/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeySZQDXNKFLJSNOF-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 62594788
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
N-[[1-(5-chloro-2-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63512396
N-[[1-(5-chloro-2-methoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595167
N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519339
(2R)-2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]propanamide
CID 119303817
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
[2-(5-chloro-2-methoxyphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007249
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine
CID 65006264
2-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 86845463
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine (CID 62594787) is N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine is COc1ccc(Cl)cc1C1(CNC(C)C)CC1.
What is the InChIKey of N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is SZQDXNKFLJSNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)16-9-14(6-7-14)12-8-11(15)4-5-13(12)17-3/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine?
N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 62594787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).