N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine

C18H28ClNO — CID 63517540

IUPACN-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine
SMILESCc1cc(Cl)c(C(C)C)cc1OC(C)CNC1CCCC1
InChIInChI=1S/C18H28ClNO/c1-12(2)16-10-18(13(3)9-17(16)19)21-14(4)11-20-15-7-5-6-8-15/h9-10,12,14-15,20H,5-8,11H2,1-4H3
InChIKeyNNCPZOUINVIDMA-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.07
Rot. Bonds6

About N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine

N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine (PubChem CID 63517540) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine
PubChem CID63517540
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine
SMILESCc1cc(Cl)c(C(C)C)cc1OC(C)CNC1CCCC1
InChIInChI=1S/C18H28ClNO/c1-12(2)16-10-18(13(3)9-17(16)19)21-14(4)11-20-15-7-5-6-8-15/h9-10,12,14-15,20H,5-8,11H2,1-4H3
InChIKeyNNCPZOUINVIDMA-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63517705
N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine
CID 62599040
N-[2-(2-fluoro-5-methylphenoxy)propyl]cyclohexanamine
CID 64854515
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(2,6-dimethylphenoxy)propyl]cyclohexanamine
CID 54797698
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-1-amine
CID 63497194
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
CID 62571941
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752979

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine?
The IUPAC name of N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine (CID 63517540) is N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine is Cc1cc(Cl)c(C(C)C)cc1OC(C)CNC1CCCC1.
What is the InChIKey of N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine?
The InChIKey is NNCPZOUINVIDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-12(2)16-10-18(13(3)9-17(16)19)21-14(4)11-20-15-7-5-6-8-15/h9-10,12,14-15,20H,5-8,11H2,1-4H3.
What are the key properties of N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine?
N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine has a molecular weight of 309.88 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine is sourced from PubChem (CID 63517540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).