N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine

C18H31NO — CID 62530501

IUPACN-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
SMILESCC(C)CC(CCOc1ccccc1)CNC(C)(C)C
InChIInChI=1S/C18H31NO/c1-15(2)13-16(14-19-18(3,4)5)11-12-20-17-9-7-6-8-10-17/h6-10,15-16,19H,11-14H2,1-5H3
InChIKeyYFNWABLDZLEFBL-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.51
Rot. Bonds8

About N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine

N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine (PubChem CID 62530501) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
PubChem CID62530501
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
SMILESCC(C)CC(CCOc1ccccc1)CNC(C)(C)C
InChIInChI=1S/C18H31NO/c1-15(2)13-16(14-19-18(3,4)5)11-12-20-17-9-7-6-8-10-17/h6-10,15-16,19H,11-14H2,1-5H3
InChIKeyYFNWABLDZLEFBL-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62529307
N-[4-methyl-2-(2-phenoxyethyl)pentyl]cyclopropanamine
CID 62529112
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
[4-(chloromethyl)-6-methylheptoxy]benzene
CID 66033410
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 55196404
2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63497455
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
N-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62528721
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497993
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
CID 62936468

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine (CID 62530501) is N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine is CC(C)CC(CCOc1ccccc1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine?
The InChIKey is YFNWABLDZLEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-15(2)13-16(14-19-18(3,4)5)11-12-20-17-9-7-6-8-10-17/h6-10,15-16,19H,11-14H2,1-5H3.
What are the key properties of N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine?
N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine is sourced from PubChem (CID 62530501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).