N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine

C15H21NO — CID 106225407

IUPACN-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCc1ccc(OCCC)cc1
InChIInChI=1S/C15H21NO/c1-4-11-17-15-9-7-13(8-10-15)12-16-14(5-2)6-3/h2,7-10,14,16H,4,6,11-12H2,1,3H3
InChIKeyJADJRFDURYVKPX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.98
Rot. Bonds7

About N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine

N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine (PubChem CID 106225407) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine.

Molecular Properties

Compound NameN-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine
PubChem CID106225407
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCc1ccc(OCCC)cc1
InChIInChI=1S/C15H21NO/c1-4-11-17-15-9-7-13(8-10-15)12-16-14(5-2)6-3/h2,7-10,14,16H,4,6,11-12H2,1,3H3
InChIKeyJADJRFDURYVKPX-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
N-[(3-propoxyphenyl)methyl]hex-1-yn-3-amine
CID 114160786
2-[(4-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312708
2-[(4-propoxyphenyl)methylamino]propan-1-ol
CID 43499524
4-[(pent-1-yn-3-ylamino)methyl]benzoic acid
CID 106225116
(4-propoxyphenyl)methylhydrazine
CID 53401453
4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 62733175
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N-[[4-(methoxymethyl)phenyl]methyl]hex-1-yn-3-amine
CID 107234261

Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine?
The IUPAC name of N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine (CID 106225407) is N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine.
What is the SMILES notation for N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine?
The canonical SMILES for N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine is C#CC(CC)NCc1ccc(OCCC)cc1.
What is the InChIKey of N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine?
The InChIKey is JADJRFDURYVKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-11-17-15-9-7-13(8-10-15)12-16-14(5-2)6-3/h2,7-10,14,16H,4,6,11-12H2,1,3H3.
What are the key properties of N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine?
N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propoxyphenyl)methyl]pent-1-yn-3-amine is sourced from PubChem (CID 106225407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).