N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine

C17H29NO — CID 2247450

IUPACN-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
SMILESCCCCNCCCCOc1ccccc1C(C)C
InChIInChI=1S/C17H29NO/c1-4-5-12-18-13-8-9-14-19-17-11-7-6-10-16(17)15(2)3/h6-7,10-11,15,18H,4-5,8-9,12-14H2,1-3H3
InChIKeyGYIDBWZKSVOPMB-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.36
Rot. Bonds10

About N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine

N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine (PubChem CID 2247450) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
PubChem CID2247450
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
SMILESCCCCNCCCCOc1ccccc1C(C)C
InChIInChI=1S/C17H29NO/c1-4-5-12-18-13-8-9-14-19-17-11-7-6-10-16(17)15(2)3/h6-7,10-11,15,18H,4-5,8-9,12-14H2,1-3H3
InChIKeyGYIDBWZKSVOPMB-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
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-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101
1-octoxy-2-propan-2-ylbenzene
CID 64765685
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118
N-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]pentan-1-amine
CID 115402876

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine?
The IUPAC name of N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine (CID 2247450) is N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine.
What is the SMILES notation for N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine?
The canonical SMILES for N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine is CCCCNCCCCOc1ccccc1C(C)C.
What is the InChIKey of N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine?
The InChIKey is GYIDBWZKSVOPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-5-12-18-13-8-9-14-19-17-11-7-6-10-16(17)15(2)3/h6-7,10-11,15,18H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine?
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine is sourced from PubChem (CID 2247450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).