N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine

C17H29NO — CID 107668612

IUPACN-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
SMILESCCCCNCC(C)Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C17H29NO/c1-5-7-12-18-13-15(4)19-17-10-8-16(9-11-17)14(3)6-2/h8-11,14-15,18H,5-7,12-13H2,1-4H3
InChIKeyZJEHDJHSQGYLDU-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.36
Rot. Bonds9

About N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine

N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine (PubChem CID 107668612) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
PubChem CID107668612
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
SMILESCCCCNCC(C)Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C17H29NO/c1-5-7-12-18-13-15(4)19-17-10-8-16(9-11-17)14(3)6-2/h8-11,14-15,18H,5-7,12-13H2,1-4H3
InChIKeyZJEHDJHSQGYLDU-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.36
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-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine
CID 62572869
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573
N-[2-(4-chlorophenoxy)propyl]heptan-1-amine
CID 54797550
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine
CID 107668328
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
N-[2-(6-bromonaphthalen-2-yl)oxypropyl]butan-1-amine
CID 63506414
N-[2-(4-bromo-3-fluorophenoxy)propyl]butan-1-amine
CID 65201064
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 115493375

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine?
The IUPAC name of N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine (CID 107668612) is N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine.
What is the SMILES notation for N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine?
The canonical SMILES for N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine is CCCCNCC(C)Oc1ccc(C(C)CC)cc1.
What is the InChIKey of N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine?
The InChIKey is ZJEHDJHSQGYLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-12-18-13-15(4)19-17-10-8-16(9-11-17)14(3)6-2/h8-11,14-15,18H,5-7,12-13H2,1-4H3.
What are the key properties of N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine?
N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine is sourced from PubChem (CID 107668612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).