N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine

C14H21N — CID 62594744

IUPACN-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2C)CC1
InChIInChI=1S/C14H21N/c1-3-10-15-11-14(8-9-14)13-7-5-4-6-12(13)2/h4-7,15H,3,8-11H2,1-2H3
InChIKeyBMOJZHNIRNDVLL-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.03
Rot. Bonds5

About N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine

N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 62594744) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine
PubChem CID62594744
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2C)CC1
InChIInChI=1S/C14H21N/c1-3-10-15-11-14(8-9-14)13-7-5-4-6-12(13)2/h4-7,15H,3,8-11H2,1-2H3
InChIKeyBMOJZHNIRNDVLL-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid
CID 139017034
2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
CID 62596033
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008193
2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516825
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
CID 62596949
1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 62772754
N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine
CID 65009448
1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene
CID 84716994
N-[[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008448
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
2-methyl-1-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-propylguanidine;hydroiodide
CID 111228344
2-methyl-1-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110928186

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine (CID 62594744) is N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1(c2ccccc2C)CC1.
What is the InChIKey of N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is BMOJZHNIRNDVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-10-15-11-14(8-9-14)13-7-5-4-6-12(13)2/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine?
N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 62594744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).