N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine

C17H29NO — CID 2299738

IUPACN-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
SMILESCCCCNCCCOc1ccccc1[C@H](C)CC
InChIInChI=1S/C17H29NO/c1-4-6-12-18-13-9-14-19-17-11-8-7-10-16(17)15(3)5-2/h7-8,10-11,15,18H,4-6,9,12-14H2,1-3H3/t15-/m1/s1
InChIKeyLYSMWAOSZMOOLU-OAHLLOKOSA-N
MW263.42 g/mol
LogP4.36
Rot. Bonds10

About N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine

N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine (PubChem CID 2299738) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
PubChem CID2299738
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
SMILESCCCCNCCCOc1ccccc1[C@H](C)CC
InChIInChI=1S/C17H29NO/c1-4-6-12-18-13-9-14-19-17-11-8-7-10-16(17)15(3)5-2/h7-8,10-11,15,18H,4-6,9,12-14H2,1-3H3/t15-/m1/s1
InChIKeyLYSMWAOSZMOOLU-OAHLLOKOSA-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-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-butoxyaniline
CID 54801693
N-[2-(2-butan-2-ylphenoxy)ethyl]prop-2-en-1-amine
CID 62572475
2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine
CID 54797379
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
CID 54798092
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine
CID 63498593
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
N-[(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]butyl]hexadecan-1-amine
CID 98044703

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine?
The IUPAC name of N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine (CID 2299738) is N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine.
What is the SMILES notation for N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine?
The canonical SMILES for N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine is CCCCNCCCOc1ccccc1[C@H](C)CC.
What is the InChIKey of N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine?
The InChIKey is LYSMWAOSZMOOLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-6-12-18-13-9-14-19-17-11-8-7-10-16(17)15(3)5-2/h7-8,10-11,15,18H,4-6,9,12-14H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine?
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]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-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine is sourced from PubChem (CID 2299738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).