N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine

C18H31NO — CID 63505904

IUPACN-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C18H31NO/c1-7-8-15(5)19-12-16(6)20-17-9-10-18(13(2)3)14(4)11-17/h9-11,13,15-16,19H,7-8,12H2,1-6H3
InChIKeyLRMKURDOYSFMFW-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.66
Rot. Bonds8

About N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine

N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine (PubChem CID 63505904) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine
PubChem CID63505904
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)Oc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C18H31NO/c1-7-8-15(5)19-12-16(6)20-17-9-10-18(13(2)3)14(4)11-17/h9-11,13,15-16,19H,7-8,12H2,1-6H3
InChIKeyLRMKURDOYSFMFW-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methylphenoxy)propyl]pentan-2-amine
CID 55093091
N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854
N-[2-(3,5-difluorophenoxy)propyl]pentan-2-amine
CID 62785273
N-[2-(4-bromophenoxy)propyl]pentan-2-amine
CID 62572592
2-methyl-4-pentan-2-yloxyaniline
CID 102980398
N-ethyl-3-methyl-2-(3-methyl-4-propan-2-ylphenoxy)butan-1-amine
CID 55195060
N-(2-pyridin-3-yloxypropyl)pentan-2-amine
CID 62583825
1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
CID 82553641
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
1-ethenyl-2-methyl-4-pentan-2-yloxybenzene
CID 139784110
3-methoxy-2-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine
CID 103228196
N-[2-(2,5-difluorophenoxy)propyl]pentan-2-amine
CID 63272991

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine?
The IUPAC name of N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine (CID 63505904) is N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine.
What is the SMILES notation for N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine?
The canonical SMILES for N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine is CCCC(C)NCC(C)Oc1ccc(C(C)C)c(C)c1.
What is the InChIKey of N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine?
The InChIKey is LRMKURDOYSFMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-8-15(5)19-12-16(6)20-17-9-10-18(13(2)3)14(4)11-17/h9-11,13,15-16,19H,7-8,12H2,1-6H3.
What are the key properties of N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine?
N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine is sourced from PubChem (CID 63505904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).