N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine

C16H26ClNO — CID 62485518

IUPACN-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
SMILESCc1ccc(Cl)c(OC(C)CCCNC(C)(C)C)c1
InChIInChI=1S/C16H26ClNO/c1-12-8-9-14(17)15(11-12)19-13(2)7-6-10-18-16(3,4)5/h8-9,11,13,18H,6-7,10H2,1-5H3
InChIKeyYNLPXSFGOJILIR-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.58
Rot. Bonds6

About N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine

N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine (PubChem CID 62485518) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
PubChem CID62485518
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC NameN-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
SMILESCc1ccc(Cl)c(OC(C)CCCNC(C)(C)C)c1
InChIInChI=1S/C16H26ClNO/c1-12-8-9-14(17)15(11-12)19-13(2)7-6-10-18-16(3,4)5/h8-9,11,13,18H,6-7,10H2,1-5H3
InChIKeyYNLPXSFGOJILIR-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.58
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-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine
CID 62452811
N-[4-(2-chloro-5-methylphenoxy)pentyl]cyclopropanamine
CID 62485336
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228482
4-(2-bromo-4-fluorophenoxy)-N-tert-butylpentan-1-amine
CID 62451485
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
CID 107170796
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
N-tert-butyl-4-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76943648
1-chloro-2-(1-iodoethoxy)-4-methylbenzene
CID 130224829

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine (CID 62485518) is N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine is Cc1ccc(Cl)c(OC(C)CCCNC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine?
The InChIKey is YNLPXSFGOJILIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-12-8-9-14(17)15(11-12)19-13(2)7-6-10-18-16(3,4)5/h8-9,11,13,18H,6-7,10H2,1-5H3.
What are the key properties of N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine?
N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 62485518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).