N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine

C15H22ClNO — CID 62485336

IUPACN-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine
SMILESCc1ccc(Cl)c(OC(C)CCCNC2CC2)c1
InChIInChI=1S/C15H22ClNO/c1-11-5-8-14(16)15(10-11)18-12(2)4-3-9-17-13-6-7-13/h5,8,10,12-13,17H,3-4,6-7,9H2,1-2H3
InChIKeySNMTZPHBGLLWPF-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.95
Rot. Bonds7

About N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine

N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine (PubChem CID 62485336) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine
PubChem CID62485336
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine
SMILESCc1ccc(Cl)c(OC(C)CCCNC2CC2)c1
InChIInChI=1S/C15H22ClNO/c1-11-5-8-14(16)15(10-11)18-12(2)4-3-9-17-13-6-7-13/h5,8,10,12-13,17H,3-4,6-7,9H2,1-2H3
InChIKeySNMTZPHBGLLWPF-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
CID 62485518
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine
CID 62486274
N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62485514
N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine
CID 63649238
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
N-[4-(3-bromophenoxy)pentyl]cyclopropanamine
CID 55076658
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62486419
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
1-chloro-2-(1-iodoethoxy)-4-methylbenzene
CID 130224829

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine (CID 62485336) is N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine is Cc1ccc(Cl)c(OC(C)CCCNC2CC2)c1.
What is the InChIKey of N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine?
The InChIKey is SNMTZPHBGLLWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-5-8-14(16)15(10-11)18-12(2)4-3-9-17-13-6-7-13/h5,8,10,12-13,17H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine?
N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine has a molecular weight of 267.80 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 62485336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).