N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine

C18H29NO — CID 62514332

IUPACN-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
SMILESCc1ccc(CC(CCOC(C)C)CNC2CC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)20-11-10-17(13-19-18-8-9-18)12-16-6-4-15(3)5-7-16/h4-7,14,17-19H,8-13H2,1-3H3
InChIKeyOZMICWWBHAIKIZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.72
Rot. Bonds9

About N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine

N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine (PubChem CID 62514332) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
PubChem CID62514332
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
SMILESCc1ccc(CC(CCOC(C)C)CNC2CC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)20-11-10-17(13-19-18-8-9-18)12-16-6-4-15(3)5-7-16/h4-7,14,17-19H,8-13H2,1-3H3
InChIKeyOZMICWWBHAIKIZ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-bromophenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62515921
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
N-[4-methyl-2-[(4-methylphenyl)methyl]heptyl]cyclopropanamine
CID 63522593
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047
N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 82930839
N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 55093955
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255
N-[2-cyclohexyl-3-(4-methylphenyl)propyl]cyclopropanamine
CID 82934027
N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine
CID 62528938
N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412311
N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79438020

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine (CID 62514332) is N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine is Cc1ccc(CC(CCOC(C)C)CNC2CC2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine?
The InChIKey is OZMICWWBHAIKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)20-11-10-17(13-19-18-8-9-18)12-16-6-4-15(3)5-7-16/h4-7,14,17-19H,8-13H2,1-3H3.
What are the key properties of N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine?
N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine is sourced from PubChem (CID 62514332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).